1CYD

CARBONYL REDUCTASE COMPLEXED WITH NADPH AND 2-PROPANOL

Experimental procedure

Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	277
Detector technology	DIFFRACTOMETER
Collection date	1994-03-03
Detector	WEISSENBERG
Spacegroup name	P 1 21 1
Unit cell lengths	79.730, 105.500, 60.870
Unit cell angles	90.00, 91.43, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.154
Rwork	0.154
R-free	0.20200
RMSD bond length	0.009
RMSD bond angle	1.515
Data reduction software	WEIS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.000 *
High resolution limit [Å]	1.800	1.800 *
Rmerge	0.063
Total number of observations	224849 *
Number of reflections	67478
Completeness [%]	72.4	49.7 *
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MLCR	10 (mg/ml)
2	1	drop		200 (mM)
3	1	drop	NADPH	2 (mg/ml)
4	1	drop	Tris	20 (mM)
5	1	reservoir	PEG4000	17 (%(w/v))
6	1	reservoir		200 (mM)
7	1	reservoir	2-propanol	9 (%(v/v))
8	1	reservoir	HEPES	100 (mM)